General Information of the Compound
| Compound ID |
CP0430557
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| Compound Name |
3-chloro-5-[4-[5-(cyclopropylmethylsulfonyl)-1H-1,2,4-triazol-3-yl]-2,5-difluorophenyl]-2-(2,4-difluorophenoxy)pyridine
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| Structure |
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| Formula |
C23H15ClF4N4O3S
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| Molecular Weight |
538.91
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| Canonical SMILES |
Fc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2F)-c2nnc([nH]2)S(=O)(=O)CC2CC2)c(F)c1
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| InChI |
InChI=1S/C23H15ClF4N4O3S/c24-16-5-12(9-29-22(16)35-20-4-3-13(25)6-19(20)28)14-7-18(27)15(8-17(14)26)21-30-23(32-31-21)36(33,34)10-11-1-2-11/h3-9,11H,1-2,10H2,(H,30,31,32)
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| InChIKey |
ANXJUGAGJBHGCX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha